Molecular Identity
Bumetanide
3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid
PubChem CID: 2471
Bumetanide is a member of the class of benzoic acids that is 4-phenoxybenzoic acid in which the hydrogens ortho to the phenoxy group are substituted by butylamino and sulfamoyl groups. Bumetanide is a diuretic, and is used for treatment of oedema associated with congestive heart failure, hepatic and renal disease. It has a role as an EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor and a diuretic. It is a member of benzoic acids, an amino acid and a sulfonamide.
2D Structure
Properties
C17H20N2O5S
Molecular Formula
364.40
Molecular Weight
g/mol
364.1093
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
127
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
528
Complexity
SMILES
Canonical SMILES
SMILES: CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2Isomeric SMILES
SMILES: CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2Synonyms(20)
bumetanide28395-03-13-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acidBumexBurinexBumetanidaRo 10-6338BumetanidumLixil3-(Aminosulfonyl)-5-(butylamino)-4-phenoxybenzoic acidPF 1593Benzoic acid, 3-(aminosulfonyl)-5-(butylamino)-4-phenoxy-PF-1593DTXSID5022699PF1593
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bumetanide
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